2ANV

crystal structure of P22 lysozyme mutant L86M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-10
Detector	ADSC QUANTUM 315
Spacegroup name	C 1 2 1
Unit cell lengths	134.013, 50.415, 46.587
Unit cell angles	90.00, 103.80, 90.00

Refinement procedure

Resolution	42.000 - 1.040
R-factor	0.1218
Rwork	0.122
R-free	0.15130
Structure solution method	DIRECT METHODS
RMSD bond length	0.020
RMSD bond angle	0.035
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SIR (V. 2002)
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.100	1.080
High resolution limit [Å]	1.040	1.040
Rmerge	0.053	0.222
Number of reflections	144532
<I/σ(I)>	42.3	3.9
Completeness [%]	99.6	99.4
Redundancy	4.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	276	PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 276K, pH 7.50