4I7P

T4 Lysozyme L99A/M102H with 4-bromoimidazole bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	P 1 21 1
Unit cell lengths	48.370, 75.400, 52.700
Unit cell angles	90.00, 93.32, 90.00

Refinement procedure

Resolution	48.289 - 1.600
R-factor	0.1804
Rwork	0.179
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e97
RMSD bond length	0.013
RMSD bond angle	1.396
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.289	48.289	1.690
High resolution limit [Å]	1.600	10.000	1.600
Rmerge	0.066	0.029	0.365
Number of reflections	48062	175	7353
<I/σ(I)>	11.96	32.35	3.1
Completeness [%]	95.9	79.5	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	0.1 M sodium acetate, pH 4.5, 30% (w/v) PEG-6000, 0.3 M LiSO4, 3% (w/v) TMAO, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide, vapor diffusion, hanging drop, temperature 277K