4W51

T4 Lysozyme L99A with No Ligand 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	2009-05-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	P 32 2 1
Unit cell lengths	60.310, 60.310, 96.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.900 - 1.450
R-factor	0.1754
Rwork	0.175
R-free	0.19150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	181l
RMSD bond length	0.008
RMSD bond angle	1.024
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.550
High resolution limit [Å]	1.450	4.190	1.450
Rmerge	0.060	0.033	0.493
Rmeas	0.064	0.036	0.524
Total number of observations	313090
Number of reflections	40287	1472	6535
<I/σ(I)>	22.97	50.21	5.89
Completeness [%]	99.4	88.6	100
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	20% (w/v) PEGF-4000, 10% 2-propanol, 0.1 M HEPES, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide