4N8Z

In situ lysozyme crystallized on a MiTeGen micromesh with benzamidine ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 43 21 2
Unit cell lengths	79.150, 79.150, 36.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.760 - 1.200
R-factor	0.23007
Rwork	0.229
R-free	0.25073
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lyz
RMSD bond length	0.029
RMSD bond angle	2.441
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.760
High resolution limit [Å]	1.200	1.200
Rmerge	0.079	0.079
Number of reflections	34003
<I/σ(I)>	30.46	30.46
Completeness [%]	97.8	97.78
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	In situ crystallization on micromesh	4.6	290	4% sodium chloride, 100mM sodium acetate pH 4.6, 120mg/ml, In situ crystallization on micromesh, temperature 290K
1	In situ crystallization on micromesh	4.6	290	4% sodium chloride, 100mM sodium acetate pH 4.6, 120mg/ml, In situ crystallization on micromesh, temperature 290K
1	In situ crystallization on micromesh	4.6	290	4% sodium chloride, 100mM sodium acetate pH 4.6, 120mg/ml, In situ crystallization on micromesh, temperature 290K