5N35

Gadolinium phased PBP2 (SSO6202) at 2.2 Ang

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.71076
Spacegroup name	P 32 2 1
Unit cell lengths	62.150, 62.150, 35.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.080 - 2.240
R-factor	0.2294
Rwork	0.227
R-free	0.27480
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.290
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.100
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.070
Number of reflections	3963
<I/σ(I)>	31.6	1.3
Completeness [%]	99.0	90.7
Redundancy	17	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	Protein: 42.7 mg/ml in 20 mM Hepes pH 7.5, 0.3 M NaCl, 1mM MgCl2 and 1mM b-ME. Crystallization buffer: 0.2 M NaNO3, 20% PEG 3350
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	Protein: 42.7 mg/ml in 20 mM Hepes pH 7.5, 0.3 M NaCl, 1mM MgCl2 and 1mM b-ME. Crystallization buffer: 0.2 M NaNO3, 20% PEG 3350
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	Protein: 42.7 mg/ml in 20 mM Hepes pH 7.5, 0.3 M NaCl, 1mM MgCl2 and 1mM b-ME. Crystallization buffer: 0.2 M NaNO3, 20% PEG 3350